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373650-12-5 | (S)-Ru(OAc)2(SEGPHOS)
CAS No: 373650-12-5 Catalog No: AG003COD MDL No:
Product Description
Catalog Number:
AG003COD
Chemical Name:
(S)-Ru(OAc)2(SEGPHOS)
CAS Number:
373650-12-5
Molecular Formula:
C80H62O12P4Ru2++
Molecular Weight:
1541.3761
IUPAC Name:
acetic acid;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium
InChI:
InChI=1S/C38H28O4P2.2C2H4O2.Ru/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2*1-2(3)4;/h1-24H,25-26H2;2*1H3,(H,3,4);
InChI Key:
OISNHBFITMBIMI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)P(c1ccc2c(c1c1c3OCOc3ccc1P(c1ccccc1)c1ccccc1)OCO2)c1ccccc1.c1ccc(cc1)P(c1ccc2c(c1c1c3OCOc3ccc1P(c1ccccc1)c1ccccc1)OCO2)c1ccccc1.[O-]C(=O)C.[O-]C(=O)C.[Ru+2].[Ru+2]
Properties
Complexity:
818
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
832.093g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
831.76g/mol
Monoisotopic Mass:
832.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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